Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9861425 | 0.88 | BCL2 (0.40) | BCL2MCL1GABRA1GABRB1GABRB2 | |
| SCHEMBL9861337 | 0.79 | KDM4E (0.44) | LMNAHPGDTSHRBACE1GAA | |
| SCHEMBL9861488 | 0.77 | HTT (0.57) | MCL1LMNACYP1A2PTGS1BACE1 | |
| SCHEMBL29700526 | 0.76 | LMNA (0.55) | BCL2MCL1GABRA1GABRB1GABRB2 | |
| SCHEMBL13773185 | 0.76 | LMNA (0.55) | BCL2MCL1GABRA1GABRB1GABRB2 | |
| SCHEMBL9861935 | 0.75 | CA2 (0.42) | MCL1GABRA1GABRB2CA1CA2 | |
| SCHEMBL24910099 | 0.74 | P2RX7 (0.37) | GABRA1GABRB2BACE1ARTRPA1 | |
| SCHEMBL9861301 | 0.72 | GABRA1 (0.44) | MCL1GABRA1GABRB2BACE1BCL2L1 | |
| SCHEMBL28354340 | 0.71 | ACE2 (0.43) | BCL2MCL1GABRA1GABRB1GABRB2 | |
| SCHEMBL4912818 | 0.71 | GABRA1 (0.61) | GABRA1GABRB1GABRB2CA1CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5008425-A | Trifluoromethylation of carbonyl compounds | ETHYL CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0336371-A2 | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-11 | — | — | EP | disclosed |
| US-4871877-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-10-03 | — | — | US | disclosed |
| US-4845258-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-07-04 | — | — | US | disclosed |
| US-4804774-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804772-A | Gem-disubstituted cyclohexadienones and their production | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4804773-A | Production of gem-disubstituted cyclohexadienones | ETHYL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |